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Home > Other Heterocycles > 5291-26-9
5291-26-9 | 2-methylidene-1-azabicyclo[2.2.2]octan-3-one
CAS No: 5291-26-9 Catalog No: AG01A0EM MDL No:MFCD12405024
Product Description
Catalog Number:
AG01A0EM
Chemical Name:
2-methylidene-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
5291-26-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD12405024
IUPAC Name:
2-methylidene-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2
InChI Key:
NHPWIWAGVOXDPU-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(C1=C)CC2
EC Number:
227-413-0
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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